
 CHEMBL320283

 47 51  0  0  0  0  0  0  0  0999 V2000
    9.8573    2.4095   -0.2365 C   0  0  0  0  0
    9.3445    1.8788    0.9464 C   0  0  0  0  0
    8.4686    0.7929    0.9036 C   0  0  0  0  0
    8.1058    0.2223   -0.3240 C   0  0  0  0  0
    8.6076    0.7796   -1.5086 C   0  0  0  0  0
    9.4833    1.8650   -1.4630 C   0  0  0  0  0
    7.2486   -1.0215   -0.3695 C   0  0  0  0  0
    5.7443   -0.8107   -0.4570 C   0  0  0  0  0
    5.2162    0.3034   -0.4804 O   0  0  0  0  0
    4.9244   -1.9141   -0.5050 N   0  0  0  0  0
    5.2800   -3.2635   -0.4977 C   0  0  0  0  0
    6.5854   -3.6813   -0.4656 N   0  0  0  0  0
    6.9598   -4.9940   -0.4549 C   0  0  0  0  0
    8.3152   -5.2744   -0.4322 C   0  0  0  0  0
    8.8059   -6.5871   -0.4165 C   0  0  0  0  0
    7.9289   -7.6687   -0.4216 C   0  0  0  0  0
    6.5572   -7.4414   -0.4467 C   0  0  0  0  0
    6.0803   -6.1092   -0.4660 C   0  0  0  0  0
    4.7424   -5.6598   -0.5013 C   0  0  0  0  0
    3.6153   -6.4331   -0.5234 C   0  0  0  0  0
    2.5506   -5.5571   -0.5665 N   0  0  0  0  0
    2.9602   -4.2536   -0.5635 N   0  0  0  0  0
    4.3062   -4.2940   -0.5222 C   0  0  0  0  0
    1.1647   -5.8890   -0.6138 C   0  0  0  0  0
    0.2081   -4.8643   -0.6873 C   0  0  0  0  0
   -1.1531   -5.1757   -0.7408 C   0  0  0  0  0
   -1.5702   -6.5047   -0.7171 C   0  0  0  0  0
   -0.6276   -7.5276   -0.6412 C   0  0  0  0  0
    0.7363   -7.2255   -0.5903 C   0  0  0  0  0
   10.5470    3.2481   -0.2016 H   0  0  0  0  0
    9.6327    2.3053    1.9030 H   0  0  0  0  0
    8.0862    0.3821    1.8351 H   0  0  0  0  0
    8.3340    0.3573   -2.4726 H   0  0  0  0  0
    9.8795    2.2799   -2.3861 H   0  0  0  0  0
    7.4646   -1.6041    0.5342 H   0  0  0  0  0
    7.5694   -1.6046   -1.2405 H   0  0  0  0  0
    3.9322   -1.7140   -0.5466 H   0  0  0  0  0
    9.0223   -4.4470   -0.4274 H   0  0  0  0  0
    9.8807   -6.7566   -0.3999 H   0  0  0  0  0
    8.3168   -8.6841   -0.4074 H   0  0  0  0  0
    5.8697   -8.2817   -0.4530 H   0  0  0  0  0
    3.4826   -7.5030   -0.5193 H   0  0  0  0  0
    0.5054   -3.8182   -0.7095 H   0  0  0  0  0
   -1.8885   -4.3769   -0.8009 H   0  0  0  0  0
   -2.6298   -6.7435   -0.7576 H   0  0  0  0  0
   -0.9552   -8.5645   -0.6214 H   0  0  0  0  0
    1.4294   -8.0582   -0.5302 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320283

>  <PubChem CID>
10762204

>  <Formula>
C24H18N4O

>  <Molecular Weight>
378.435000

>  <IUPAC Name>
2-phenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3C4=CN(N=C42)C5=CC=CC=C5

>  <Isomeric SMILES>
C1=CC=C(C=C1)CC(=O)NC2=NC3=CC=CC=C3C4=CN(N=C42)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H18N4O/c29-22(15-17-9-3-1-4-10-17)26-24-23-20(19-13-7-8-14-21(19)25-24)16-28(27-23)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26,29)

>  <InChI Key>
CDNARFKYCLHRDR-UHFFFAOYSA-N

